CAS RN: 1043-50-1
PENTAFLUOROPHENYL SULFIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260402 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1043-50-1
- Purity/Analytical Methods: >99.0%
1043-50-1 / 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
Bis(2,3,4,5,6-pentafluorophenyl) sulphide | EINECS 213-874-5 | DTXSID20146378
Basic Information
CAS
1043-50-1
Multi CAS
Yes
Molecular Formula
C12F10S
Molecular Weight
366.180000
Exact Mass
365.956103
SMILES
C1(=C(C(=C(C(=C1F)F)SC2=C(C(=C(C(=C2F)F)F)F)F)F)F)F
InChI
InChI=1S/C12F10S/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey
ZOUZMRQINDFFOK-UHFFFAOYSA-N
Synonyms
Bis(2,3,4,5,6-pentafluorophenyl) sulphide
EINECS 213-874-5
DTXSID20146378
RefChem:568590
DTXCID5068869
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
56.59
TPSA
25.3000
LogP / Solubility
WLOGP
5.23
MLOGP
4.62
XLogP3
5
Consensus LogP
4.95
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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![CAS 1044-89-9 (8R,9S,10R,13S,14S)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2-[1,3]dioxolan]-3(2H)-one(WXG00896) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1044-89-9.gif)
